2-chloro-3-hydroxybenzonitrile

2-chloro-3-hydroxybenzonitrile

CAS: 51786-11-9

Formula: C7H4ClNO

SMILES: OC1=CC=CC(C#N)=C1Cl

IUPAC: 2-chloro-3-hydroxybenzonitrile

InChI: InChI=1S/C7H4ClNO/c8-7-5(4-9)2-1-3-6(7)10/h1-3,10H

Composition: C (54.75%), H (2.63%), Cl (23.08%), N (9.12%), O (10.42%)

Molar Mass: 153.57

Atom Count: 14

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	152.9981415
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	DERLNEQRYBEGFW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.57
Topological Polar Surface Area	44.02
Polarizability	14.69
Ring Count	1
Rotatable Bond Count	0

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